CID 173178114

C52H76Cl2Si5Zr — CID 173178114

IUPAC—
SMILESCCCc1ccc2[cH-]c(C)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.CCCc1ccc2[cH-]c(C)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C25H35Si2.C2H6Si.2ClH.Zr/c2*1-9-10-19-11-12-20-13-18(2)14-24(20)25(19)21-15-22(26(3,4)5)17-23(16-21)27(6,7)8;1-3-2;;;/h2*11-17H,9-10H2,1-8H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRCVXWALWOKMNMM-UHFFFAOYSA-L
MW1003.74 g/mol
LogP15.32
Rot. Bonds10

About CID 173178114

CID 173178114 (PubChem CID 173178114) has the molecular formula C52H76Cl2Si5Zr and a molecular weight of 1003.74 g/mol.

Molecular Properties

Compound NameCID 173178114
PubChem CID173178114
Molecular FormulaC52H76Cl2Si5Zr
Molecular Weight1003.74 g/mol
Exact Mass1000.32
IUPAC Name—
SMILESCCCc1ccc2[cH-]c(C)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.CCCc1ccc2[cH-]c(C)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C25H35Si2.C2H6Si.2ClH.Zr/c2*1-9-10-19-11-12-20-13-18(2)14-24(20)25(19)21-15-22(26(3,4)5)17-23(16-21)27(6,7)8;1-3-2;;;/h2*11-17H,9-10H2,1-8H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRCVXWALWOKMNMM-UHFFFAOYSA-L
XLogP15.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.74
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173178114?
The IUPAC name of CID 173178114 (CID 173178114) is not available.
What is the SMILES notation for CID 173178114?
The canonical SMILES for CID 173178114 is CCCc1ccc2[cH-]c(C)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.CCCc1ccc2[cH-]c(C)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173178114?
The InChIKey is RCVXWALWOKMNMM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H35Si2.C2H6Si.2ClH.Zr/c2*1-9-10-19-11-12-20-13-18(2)14-24(20)25(19)21-15-22(26(3,4)5)17-23(16-21)27(6,7)8;1-3-2;;;/h2*11-17H,9-10H2,1-8H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173178114?
CID 173178114 has a molecular weight of 1003.74 g/mol, XLogP of 15.32, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173178114 is sourced from PubChem (CID 173178114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).